3,7-Dibromodibenzo(b,d)thiophene

C₁₂H₆Br₂SCAS 83834-10-0342.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆Br₂S
Molar mass: 342.05 g/mol
Exact mass: 339.8557 Da
logP: 5.58Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

83834-10-0

SMILES

C1=CC2=C(C=C1Br)SC3=C2C=CC(=C3)Br

InChIKey

KMNBVODPWIFUSS-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Br2S/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H

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Names and synonyms

1 names

3,7-Dibromodibenzothiophene

Work with 3,7-Dibromodibenzo(b,d)thiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromodibenzothiophene22439-61-859 % similar 2,7-Dibromophenanthrene62325-30-850 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-648 % similar 2,7-Dibromotriphenylene888041-37-048 % similar 6-Bromobenzo[b]thiophene17347-32-946 % similar 2,7-Dibromo-9H-carbazole136630-39-246 % similar 2-Bromo-10-thiaxanthenone20077-10-545 % similar 2-Amino-6-bromobenzothiazole15864-32-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,8-Dibromodibenzothiophene31574-87-5 4,6-Dibromodibenzothiophene669773-34-6

Elsewhere

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